Geometry & MOs

Info

ID:	163083
PubChem CID:	57636481
Reduced:	SCl2O2N3H13C19 (1)
Stoich.:	AB2C2D3E13F19 (1)
Weight, g/mol:	429.121273
ΔH_f, kcal/mol:	13.84
Dipole, Da:	2.73
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-amino-7-fluoro-1H-indazol-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NNC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations